General Information of the Compound
| Compound ID |
CP0522302
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| Compound Name |
4-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenyl]oxane-4-carboxylic acid
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| Structure |
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| Formula |
C25H25Cl2N3O4
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| Molecular Weight |
502.398
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| Canonical SMILES |
COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)-c1cccc(c1)C1(CCOCC1)C(O)=O
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| InChI |
InChI=1S/C25H25Cl2N3O4/c1-33-24-29-21(15-22(30-24)28-10-7-16-5-6-19(26)14-20(16)27)17-3-2-4-18(13-17)25(23(31)32)8-11-34-12-9-25/h2-6,13-15H,7-12H2,1H3,(H,31,32)(H,28,29,30)
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| InChIKey |
QBDCAGNZOIEWRB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound